CID 544962

2-amino-6-(propan-2-yl)-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carbonitrile

Structural Information

Molecular Formula
C11H15N3S
SMILES
CC(C)N1CCC2=C(C1)SC(=C2C#N)N
InChI
InChI=1S/C11H15N3S/c1-7(2)14-4-3-8-9(5-12)11(13)15-10(8)6-14/h7H,3-4,6,13H2,1-2H3
InChIKey
GRVDEWDYQKUPSB-UHFFFAOYSA-N
Compound name
2-amino-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

4
Patents

221.09866 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 153.3
[M+Na]+ 244.08788 163.6
[M-H]- 220.09138 156.0
[M+NH4]+ 239.13248 171.8
[M+K]+ 260.06182 159.0
[M+H-H2O]+ 204.09592 141.0
[M+HCOO]- 266.09686 164.8
[M+CH3COO]- 280.11251 202.6
[M+Na-2H]- 242.07333 152.6
[M]+ 221.09811 147.6
[M]- 221.09921 147.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe